| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:05 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148970 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO2 |
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| Molecular Mass | 255.1259 |
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| SMILES | CC=CC(=O)CC(O)C=Cc1c[nH]c2ccccc12 |
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| InChI Key | AQXYGZFCUGJRNJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acryloyl compoundsazacyclic compoundsbenzenoidsbeta-hydroxy ketonesenonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonecarbonyl groupindoleb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketoneketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundenonealcoholazacycleheteroaromatic compoundorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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